SCHEMBL6094653

SCHEMBL6094653

Cc1nc(Cl)c(N)c(Nc2ccc(C(C)C)cc2Br)n1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR1 P34998 16/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13578880 0.84 KMT2A (0.43) WDR5KMT2ACRHR1
SCHEMBL5496929 0.79 CRHR1 (0.40) KMT2ACRHR1
SCHEMBL4326988 0.79 CRHR1 (0.38) WDR5KMT2ACRHR1
SCHEMBL6291133 0.78 CRHR1 (0.58) CRHR1
SCHEMBL6295002 0.78 CRHR1 (0.55) CRHR1
SCHEMBL8042350 0.77 P2RX4 (0.36) KMT2ACRHR1
SCHEMBL6295000 0.76 CRHR1 (0.55) CRHR1
SCHEMBL5492382 0.75 CRHR1 (0.36) CRHR1
SCHEMBL18000045 0.73 ALDH1A1 (0.46) WDR5KMT2A
SCHEMBL8032963 0.72 CRHR1 (0.36) WDR5KMT2ACRHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074929-B2 Certain alkylene diamine-substituted heterocycles NEUROGEN CORP. (US) 2006-07-11 US disclosed
US-6869955-B2 Tetrahydropteridines and pyridylpiperazines for treatment of neurological disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-22 US disclosed
US-20040229870-A1 Certain alkylene diamine-substituted heterocycles NEUROGEN CORPORATION 2004-11-18 US disclosed
US-6696445-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS COMPRISING HETEROCYCLIC NITROGEN COMPOUNDS AND/OR PRODRUGS USED FOR PROPHYLAXIS OF EATING AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2004-02-24 US disclosed
EP-1380298-A2 Tetrahydropteridines and pyridylpiperazines for treatment of neurological disorders, anorexia, inflammation Bristol-Myers Squibb Pharma Company (US) 2004-01-14 EP disclosed
EP-0901374-B1 TETRAHYDROPTERIDINES AND PYRIDYLPIPERAZINES FOR TREATMENT OF NEUROLOGICAL DISORDERS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-12-10 EP disclosed
US-20030158197-A1 Certain alkylene diamine-substituted heterocycles NEUROGEN CORPORATION 2003-08-21 US disclosed
US-20030064993-A1 Tetrahydropteridines and pyridylpiperazines for treatment of neurological disorders WILDE RICHARD GERALD (US) 2003-04-03 US disclosed
US-6506762-B1 Mono-, bi-, or tricyclic heterocycles may be modified to obtain potent antagonists at the NPY1 receptor. methods for the treatment of physiological disorders associated with an excess of neuropeptide Y. Novel compounds are for eating NEUROGEN CORPORATION 2003-01-14 US disclosed
US-6448261-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-10 US disclosed
EP-0935601-A4 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARM CO (US) 2002-08-07 EP disclosed
EP-1224187-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED HETEROCYCLES NEUROGEN CORPORATION (US) 2002-07-24 EP disclosed
US-6399609-B1 CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONISTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-04 US disclosed
WO-2001023389-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED HETEROCYCLES NEUROGEN CORPORATION (US) 2001-04-05 WO disclosed
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed
US-6083948-A TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-07-04 US disclosed
CN-1230184-A Arylamino fused pyridines and pyrimidines DU PONT MERCK PHARMA (US) 1999-09-29 CN disclosed
EP-0935601-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-08-18 EP disclosed
WO-1997035539-A2 ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030064993-A1 Tetrahydropteridines and pyridylpiperazines for treatment of neurological disorders CRH, CRHR1, CRHR2 WDR5 1546/4885KMT2A 3922/4885CRHR1 2/4885
US-20030158197-A1 Certain alkylene diamine-substituted heterocycles NPY1R, NPY5R, NPY2R WDR5 1272/4885KMT2A 1794/4885CRHR1 16/4885
US-20040229870-A1 Certain alkylene diamine-substituted heterocycles NPY1R, NPY5R, NPY2R WDR5 1166/4885KMT2A 1514/4885CRHR1 14/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.